AG003KVE

509142-48-7 | 4-Bromo-2-(trifluoromethoxy)benzoic acid

AG003KVE

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CAS Number	509142-48-7
Catalog Number	AG003KVE(AGN-PC-0147PW)
Chemical Name	4-Bromo-2-(trifluoromethoxy)benzoic acid
IUPAC Name	4-bromo-2-(trifluoromethoxy)benzoic acid
InChI	InChI=1S/C8H4BrF3O3/c9-4-1-2-5(7(13)14)6(3-4)15-8(10,11)12/h1-3H,(H,13,14)
InChI Key	LMFGPGVCUFRLQC-UHFFFAOYSA-N
MDL Number	MFCD12546979
Molecular Formula	C8H4BrF3O3
Molecular Weight	285.0148
SMILES	OC(=O)C1=C(OC(F)(F)F)C=C(Br)C=C1
Synonyms	4-BROMO-2-(TRIFLUOROMETHOXY)BENZOIC ACID, 509142-48-7, SCHEMBL3938494, CTK4J3362, KS-00000CWF, DTXSID60586577, LMFGPGVCUFRLQC-UHFFFAOYSA-N, ACT12958, ANW-54109, BBL100932, MFCD12546979, STL554726, ZINC40442501, AKOS005256442, CB-1992, CM12548, CS-W003831, RP29915, TRA0029783, 4-bromo-2-trifluoromethoxy-benzoic acid, 4-Bromo-2-(trifluoromethoxy)benzoicAcid, AK-35387, AS-42641, BC650576, SC-93128, SY024328, 4-Bromo-2-(trifluoromethoxyl)benzoic acid, AB0065462, AJ-102297, ST2411160, TR-036923, FT-0647721, Z4813, MFCD12546979 (95+%), I01-8821, J-514592, 4-Bromo-2-(trifluoromethoxy)benzoic acid, AldrichCPR, C8H4BrF3O3, M-4660,

Complexity	244
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	283.93g/mol
Formal Charge	0
Heavy Atom Count	15
Hydrogen Bond Acceptor Count	6
Hydrogen Bond Donor Count	1
Isotope Atom Count	0
Molecular Weight	285.016g/mol
Monoisotopic Mass	283.93g/mol
Rotatable Bond Count	2
Topological Polar Surface Area	46.5A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	3.2

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H302-H315-H319-H332-H335
Packing Group
Precautionary statements	P261-P280-P305+P351+P338
UN Code

Certificate of Analysis

Lot Number